==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-07 2PIC . COMPND 2 MOLECULE: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.E.VAN STRAATEN,B.W.DIJKSTRA,A.M.W.H.THUNNISSEN . 336 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 1 2 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 3 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S 0 0 157 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.5 -5.6 12.8 -35.5 2 3 A S + 0 0 115 2,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.888 360.0 150.0-113.3 101.6 -7.5 14.6 -32.7 3 4 A K - 0 0 81 -2,-0.7 8,-0.1 6,-0.0 2,-0.0 -0.714 25.4-163.5-135.1 84.5 -8.0 18.3 -33.3 4 5 A P - 0 0 56 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.314 14.1-177.8 -66.9 147.4 -11.1 19.7 -31.7 5 6 A T > + 0 0 89 3,-0.1 3,-0.9 1,-0.0 6,-0.0 0.134 54.6 103.2-131.4 15.7 -12.5 23.1 -32.8 6 7 A D T 3 S+ 0 0 110 1,-0.2 277,-0.4 2,-0.1 279,-0.1 0.744 83.8 46.1 -72.7 -25.6 -15.5 23.4 -30.5 7 8 A R T 3 S- 0 0 87 275,-0.1 319,-2.5 318,-0.1 -1,-0.2 0.069 130.5 -83.4-106.8 23.4 -13.7 25.9 -28.2 8 9 A G S < S+ 0 0 0 -3,-0.9 -2,-0.1 1,-0.3 -3,-0.1 0.334 76.6 154.4 95.3 -6.8 -12.3 28.3 -30.8 9 10 A Q - 0 0 20 85,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.251 21.4-168.8 -57.6 138.3 -9.1 26.2 -31.6 10 11 A Q - 0 0 42 82,-0.1 3,-0.1 317,-0.1 84,-0.1 -0.907 18.8-165.9-128.2 156.3 -7.7 26.7 -35.0 11 12 A Y + 0 0 52 -2,-0.3 3,-0.2 1,-0.1 82,-0.1 -0.199 55.4 106.4-138.1 46.0 -5.0 24.8 -36.9 12 13 A K S S+ 0 0 140 80,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.224 71.2 62.3-109.4 14.2 -4.0 26.9 -39.9 13 14 A D S S- 0 0 42 1,-0.4 -1,-0.1 79,-0.3 80,-0.0 0.151 98.7-127.7-121.6 16.1 -0.5 28.1 -38.6 14 15 A G - 0 0 42 -3,-0.2 -1,-0.4 78,-0.1 2,-0.4 -0.186 47.5 -36.3 69.7-163.5 1.1 24.7 -38.4 15 16 A K - 0 0 140 -3,-0.1 2,-0.4 78,-0.1 77,-0.2 -0.787 50.8-153.4-100.9 139.2 2.9 23.3 -35.3 16 17 A F + 0 0 17 75,-2.8 77,-0.1 -2,-0.4 -2,-0.0 -0.904 17.0 175.4-111.8 138.4 5.0 25.4 -33.0 17 18 A T + 0 0 97 -2,-0.4 -1,-0.1 75,-0.1 3,-0.0 0.247 64.6 66.7-125.3 9.5 7.9 24.0 -30.9 18 19 A Q S S- 0 0 113 1,-0.1 69,-0.1 73,-0.1 3,-0.1 -0.967 83.4-122.9-129.4 144.8 9.2 27.2 -29.3 19 20 A P S S+ 0 0 58 0, 0.0 68,-1.5 0, 0.0 2,-0.4 0.860 102.5 26.2 -54.9 -38.2 7.4 29.3 -26.7 20 21 A F E -A 86 0A 65 66,-0.2 2,-0.5 67,-0.1 66,-0.2 -0.995 68.6-170.6-132.9 129.4 7.7 32.3 -29.1 21 22 A S E -A 85 0A 31 64,-2.3 64,-2.8 -2,-0.4 2,-0.4 -0.973 21.8-133.3-122.0 120.6 8.0 32.3 -32.9 22 23 A L E -A 84 0A 94 -2,-0.5 2,-0.3 62,-0.3 62,-0.2 -0.572 27.1-155.7 -71.5 126.3 8.9 35.4 -34.8 23 24 A V - 0 0 28 60,-2.3 60,-0.5 -2,-0.4 -1,-0.0 -0.783 24.0-131.5-105.9 150.0 6.5 35.7 -37.8 24 25 A N S S- 0 0 129 1,-0.3 -1,-0.1 -2,-0.3 53,-0.1 0.950 97.2 -15.3 -58.8 -48.9 7.1 37.6 -41.0 25 26 A Q S S- 0 0 99 -3,-0.1 -1,-0.3 57,-0.1 49,-0.1 -0.948 87.8 -93.5-155.7 137.0 3.7 39.1 -40.5 26 27 A P - 0 0 8 0, 0.0 2,-2.3 0, 0.0 304,-0.0 -0.187 31.7-121.6 -54.1 139.6 0.9 38.0 -38.2 27 28 A D S S+ 0 0 77 2,-0.0 2,-0.3 -14,-0.0 -14,-0.0 -0.465 81.0 106.2 -81.5 67.4 -1.7 35.6 -39.7 28 29 A A - 0 0 7 -2,-2.3 2,-0.3 2,-0.1 45,-0.1 -0.970 60.8-141.4-149.0 128.9 -4.4 38.1 -38.9 29 30 A V + 0 0 133 -2,-0.3 2,-0.1 44,-0.1 260,-0.1 -0.656 59.0 4.8 -95.4 149.4 -6.3 40.4 -41.3 30 31 A G S S- 0 0 32 -2,-0.3 43,-1.6 2,-0.0 44,-0.1 -0.361 91.4 -54.4 83.8-162.5 -7.4 44.0 -40.6 31 32 A A - 0 0 39 41,-0.2 258,-0.2 -2,-0.1 41,-0.2 -0.812 59.0 -86.8-117.1 155.8 -6.7 46.3 -37.7 32 33 A P - 0 0 10 0, 0.0 3,-0.4 0, 0.0 258,-0.2 -0.333 32.9-146.8 -58.0 143.9 -7.3 45.9 -33.9 33 34 A I S S+ 0 0 102 256,-2.8 3,-0.2 1,-0.2 257,-0.2 0.436 87.8 61.2 -96.9 0.1 -10.8 47.0 -33.1 34 35 A N > + 0 0 5 255,-0.4 4,-2.4 1,-0.1 -1,-0.2 -0.157 57.0 131.9-117.8 39.9 -10.0 48.4 -29.6 35 36 A A H > S+ 0 0 38 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.920 75.1 50.7 -54.1 -49.5 -7.5 51.1 -30.5 36 37 A G H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 111.5 46.8 -55.8 -50.3 -9.3 53.7 -28.3 37 38 A D H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 111.0 52.9 -60.4 -40.2 -9.4 51.4 -25.3 38 39 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 107.6 51.1 -62.8 -42.7 -5.8 50.5 -25.8 39 40 A A H X S+ 0 0 36 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.896 110.4 49.4 -60.5 -41.6 -4.8 54.2 -25.8 40 41 A E H X S+ 0 0 98 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.909 110.0 52.0 -64.5 -40.8 -6.8 54.7 -22.5 41 42 A Q H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.880 108.9 48.8 -62.6 -40.3 -4.9 51.7 -21.1 42 43 A I H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.889 107.9 55.0 -67.5 -39.7 -1.5 53.1 -22.0 43 44 A N H X S+ 0 0 67 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.881 104.7 53.9 -59.8 -39.8 -2.4 56.5 -20.5 44 45 A H H X S+ 0 0 50 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.845 109.3 48.3 -63.9 -34.5 -3.3 54.7 -17.2 45 46 A I H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 8,-0.4 0.864 109.1 53.5 -72.9 -36.8 0.2 53.1 -17.2 46 47 A R H < S+ 0 0 104 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 119.4 34.2 -64.3 -38.1 1.8 56.5 -17.9 47 48 A N H < S+ 0 0 107 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.810 126.4 35.2 -88.5 -33.0 0.0 58.1 -14.9 48 49 A S H < S+ 0 0 55 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.683 129.6 23.2 -98.1 -20.6 -0.1 55.2 -12.4 49 50 A S >X + 0 0 15 -4,-1.8 4,-2.5 -5,-0.3 3,-1.2 -0.421 58.7 167.1-145.2 67.0 3.2 53.4 -13.1 50 51 A P H 3> S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.741 80.7 59.6 -51.9 -26.9 5.8 55.7 -14.7 51 52 A R H 34 S+ 0 0 178 2,-0.2 4,-0.5 1,-0.2 -5,-0.1 0.865 110.3 39.4 -71.5 -37.9 8.5 53.1 -13.9 52 53 A L H <> S+ 0 0 12 -3,-1.2 4,-1.1 -7,-0.2 3,-0.4 0.844 114.3 55.2 -78.3 -35.1 6.8 50.5 -16.0 53 54 A Y H >X S+ 0 0 34 -4,-2.5 4,-2.2 -8,-0.4 3,-0.8 0.925 105.0 52.4 -62.2 -45.4 5.8 53.0 -18.6 54 55 A G H 3< S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.694 109.4 51.0 -64.5 -20.1 9.4 54.1 -19.1 55 56 A N H 34 S+ 0 0 97 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.677 124.1 25.4 -90.0 -20.5 10.4 50.4 -19.6 56 57 A Q H XX S+ 0 0 40 -4,-1.1 4,-2.2 -3,-0.8 3,-1.1 0.409 86.2 102.6-123.6 -1.1 7.8 49.7 -22.3 57 58 A S H 3X S+ 0 0 26 -4,-2.2 4,-2.5 1,-0.3 5,-0.3 0.725 76.2 66.9 -57.1 -22.4 7.1 53.1 -23.9 58 59 A N H 3> S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.932 109.2 36.6 -63.8 -43.8 9.2 52.0 -26.8 59 60 A V H <> S+ 0 0 6 -3,-1.1 4,-2.9 2,-0.2 5,-0.2 0.926 117.1 50.9 -72.5 -47.7 6.6 49.4 -27.6 60 61 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.901 112.7 46.8 -57.9 -44.2 3.6 51.5 -26.7 61 62 A N H X S+ 0 0 88 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.918 112.6 48.2 -64.0 -47.7 4.8 54.5 -28.8 62 63 A A H X S+ 0 0 14 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.942 114.5 47.0 -59.3 -48.2 5.6 52.3 -31.9 63 64 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.910 111.6 50.3 -60.8 -44.5 2.2 50.6 -31.6 64 65 A Q H X S+ 0 0 65 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.892 111.3 48.6 -61.2 -41.2 0.3 53.9 -31.2 65 66 A E H X S+ 0 0 86 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.907 111.1 50.9 -65.0 -42.2 2.1 55.3 -34.3 66 67 A W H <>S+ 0 0 0 -4,-2.3 5,-2.4 -5,-0.2 4,-0.4 0.914 111.1 49.0 -60.5 -45.9 1.2 52.2 -36.2 67 68 A L H ><5S+ 0 0 24 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.896 110.1 48.2 -62.7 -45.9 -2.5 52.5 -35.2 68 69 A R H 3<5S+ 0 0 197 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 108.9 56.6 -65.5 -31.5 -2.9 56.2 -36.1 69 70 A A T 3<5S- 0 0 67 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.571 141.5 -70.7 -75.7 -9.7 -1.2 55.4 -39.5 70 71 A G T < 5 - 0 0 52 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 -0.011 50.0-125.6 146.3 -35.6 -3.9 52.7 -40.2 71 72 A G < + 0 0 2 -5,-2.4 2,-0.5 1,-0.2 -4,-0.2 0.624 50.5 156.0 73.1 15.3 -3.2 49.8 -37.9 72 73 A D > - 0 0 40 -6,-0.3 3,-3.2 -41,-0.2 -1,-0.2 -0.632 46.0-136.6 -79.0 124.5 -3.0 47.1 -40.6 73 74 A T G > S+ 0 0 6 -43,-1.6 3,-0.8 -2,-0.5 4,-0.2 0.693 103.8 64.6 -51.3 -21.0 -1.0 44.1 -39.5 74 75 A R G 3 S+ 0 0 158 1,-0.2 -1,-0.3 -44,-0.1 3,-0.2 0.644 102.0 50.2 -77.5 -14.4 0.7 44.1 -42.9 75 76 A N G < S+ 0 0 68 -3,-3.2 3,-0.2 1,-0.1 -1,-0.2 0.180 76.8 99.7-110.0 16.4 2.3 47.5 -42.0 76 77 A M S X >S+ 0 0 5 -3,-0.8 5,-1.8 1,-0.2 3,-1.6 0.804 70.0 69.2 -72.3 -31.4 3.8 46.9 -38.6 77 78 A R G > 5S+ 0 0 147 1,-0.3 3,-2.4 -4,-0.2 -1,-0.2 0.883 90.3 60.2 -55.9 -43.8 7.4 46.4 -39.9 78 79 A Q G 3 5S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.623 104.2 52.2 -63.4 -10.9 7.8 50.0 -40.9 79 80 A F G < 5S- 0 0 44 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.322 119.6-110.0-104.9 5.8 7.2 51.0 -37.3 80 81 A G T < 5 + 0 0 29 -3,-2.4 255,-2.0 1,-0.2 2,-0.5 0.691 67.7 150.1 73.7 21.5 9.9 48.6 -36.0 81 82 A I E < - B 0 334A 9 -5,-1.8 2,-0.4 253,-0.2 -1,-0.2 -0.771 29.8-161.5 -92.5 124.9 7.3 46.3 -34.4 82 83 A D E - B 0 333A 27 251,-4.0 251,-2.3 -2,-0.5 2,-0.6 -0.874 7.1-147.9-104.7 136.3 8.1 42.6 -34.2 83 84 A A E - B 0 332A 5 -60,-0.5 -60,-2.3 -2,-0.4 2,-0.7 -0.923 9.2-166.9-108.1 120.8 5.3 40.0 -33.7 84 85 A W E -AB 22 331A 83 247,-2.6 247,-2.7 -2,-0.6 -62,-0.3 -0.899 15.6-142.3-110.1 104.7 6.1 36.9 -31.7 85 86 A Q E -AB 21 330A 5 -64,-2.8 -64,-2.3 -2,-0.7 2,-0.3 -0.453 14.3-129.3 -70.4 132.5 3.5 34.2 -32.0 86 87 A M E -A 20 0A 0 243,-2.9 243,-0.3 -2,-0.2 -66,-0.2 -0.588 9.8-133.1 -81.1 140.6 2.8 32.2 -28.9 87 88 A E - 0 0 35 -68,-1.5 6,-3.8 -2,-0.3 7,-0.6 0.789 40.2-143.6 -63.4 -30.7 2.8 28.4 -29.2 88 89 A G B -i 94 0B 3 5,-0.3 3,-0.4 -69,-0.2 7,-0.3 -0.228 31.5 -71.4 88.9 176.5 -0.4 27.9 -27.3 89 90 A A S S+ 0 0 64 5,-2.3 -1,-0.2 215,-0.3 6,-0.1 0.788 135.3 42.5 -77.8 -28.2 -1.3 25.1 -24.9 90 91 A D S S- 0 0 49 4,-0.6 -1,-0.2 -3,-0.1 -2,-0.1 0.258 112.2-115.1-100.4 8.7 -1.6 22.5 -27.7 91 92 A N S S+ 0 0 63 -3,-0.4 -75,-2.8 3,-0.2 -3,-0.2 0.705 97.9 97.0 62.9 21.0 1.5 23.7 -29.5 92 93 A Y S S- 0 0 66 -77,-0.2 -79,-0.3 -5,-0.2 -4,-0.2 0.104 109.6 -92.3-122.8 18.2 -0.7 24.8 -32.5 93 94 A G S S+ 0 0 0 -6,-3.8 2,-1.0 1,-0.2 -5,-0.3 0.552 82.3 138.3 82.8 9.0 -1.0 28.4 -31.5 94 95 A N B -i 88 0B 0 -7,-0.6 -5,-2.3 234,-0.1 -4,-0.6 -0.764 35.0-166.2 -92.9 100.3 -4.2 28.0 -29.5 95 96 A V E -C 327 0A 0 232,-3.3 232,-1.8 -2,-1.0 2,-0.4 -0.649 22.4-114.8 -87.4 139.7 -3.8 30.1 -26.4 96 97 A Q E -Cd 326 305A 44 208,-2.3 210,-3.1 -2,-0.3 2,-0.5 -0.615 30.0-168.4 -80.2 126.2 -6.2 29.6 -23.5 97 98 A F E +Cd 325 306A 0 228,-3.7 228,-1.7 -2,-0.4 210,-0.2 -0.958 12.0 166.6-118.5 119.2 -8.5 32.6 -22.7 98 99 A T E -Cd 324 307A 24 208,-2.6 210,-2.3 -2,-0.5 2,-0.3 -0.575 26.5-125.7-113.1-178.1 -10.5 32.7 -19.5 99 100 A G E + d 0 308A 16 224,-0.8 2,-0.3 221,-0.6 210,-0.2 -0.913 23.1 176.5-131.2 159.5 -12.3 35.8 -18.1 100 101 A Y E + d 0 309A 54 208,-1.7 210,-3.3 -2,-0.3 211,-0.4 -0.977 4.9 174.2-156.0 157.6 -12.4 37.7 -14.9 101 102 A Y E - 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